#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qn1 n ASP 2 N 0.00 0.00 -3.65 6.55 2.03 -1.26 -4.85 116.55 115.36 1qn1 n ASP 2 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1qn1 n ASP 2 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1qn1 s VAL 3 N 0.00 -0.00 0.10 5.18 0.11 -1.26 -5.13 120.40 119.40 1qn1 s VAL 3 Ca 0.00 0.00 -0.35 0.00 -2.93 0.00 0.00 61.98 58.70 1qn1 s VAL 3 Cb 0.00 -0.91 -0.17 0.00 -1.53 0.00 0.00 36.38 33.77 1qn1 s VAL 3 CO 0.00 0.00 1.16 -2.65 -3.33 0.00 0.00 175.10 170.28 1qn1 n PRO 4 N 2.98 0.80 -0.86 1.54 -0.02 -1.26 -4.92 135.00 133.26 1qn1 n PRO 4 Ca -0.15 0.29 -0.28 0.00 -2.02 0.00 0.00 63.50 61.34 1qn1 n PRO 4 Cb 0.56 -1.80 0.22 0.00 -0.02 0.00 0.00 33.50 32.46 1qn1 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qn1 s ALA 5 N 0.03 0.14 0.75 3.55 0.00 -1.26 -4.58 121.76 120.39 1qn1 s ALA 5 Ca 0.81 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 1qn1 s ALA 5 Cb -0.99 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.01 1qn1 s ALA 5 CO 0.52 -3.43 1.11 -0.51 0.00 0.00 0.00 175.76 173.45 1qn1 s ASP 6 N -3.02 4.99 0.00 0.00 1.01 -1.26 -4.27 116.67 114.11 1qn1 s ASP 6 Ca 0.67 1.10 0.00 0.00 0.71 0.00 0.00 52.55 55.03 1qn1 s ASP 6 Cb -0.21 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 41.90 1qn1 s ASP 6 CO 0.61 -1.63 0.00 0.61 0.21 0.00 0.00 175.17 174.97 1qn1 n GLY 7 N -2.83 0.75 3.64 0.21 0.00 -1.19 -5.03 105.19 100.74 1qn1 n GLY 7 Ca 0.07 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1qn1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 s ALA 8 N -2.00 3.63 -0.21 4.61 0.00 -1.13 -4.88 121.76 121.78 1qn1 s ALA 8 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 1qn1 s ALA 8 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1qn1 s ALA 8 CO 0.00 -0.87 0.39 -1.59 0.00 0.00 0.00 175.76 173.70 1qn1 s LYS 9 N 2.68 4.15 -0.30 0.00 0.00 -1.26 0.11 119.74 125.12 1qn1 s LYS 9 Ca 0.31 0.18 -0.14 0.00 0.00 0.00 0.00 55.97 56.32 1qn1 s LYS 9 Cb -0.15 -3.55 -0.03 0.00 0.00 0.00 0.00 37.83 34.10 1qn1 s LYS 9 CO 0.08 -0.06 0.30 0.42 0.00 0.00 0.00 175.35 176.08 1qn1 s ILE 10 N 1.39 5.23 -0.50 3.79 1.01 0.48 -4.87 121.20 127.73 1qn1 s ILE 10 Ca 0.18 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.08 1qn1 s ILE 10 Cb -0.15 -3.69 0.20 0.00 0.01 0.00 0.00 42.46 38.84 1qn1 s ILE 10 CO 0.08 0.09 0.72 -0.67 0.00 0.00 0.00 174.94 175.16 1qn1 n ASP 11 N 5.24 -2.89 0.06 3.58 2.03 -1.26 -2.41 116.55 120.89 1qn1 n ASP 11 Ca -0.11 -2.95 0.12 0.00 0.52 0.00 0.00 54.79 52.38 1qn1 n ASP 11 Cb 0.51 1.45 0.26 0.00 -0.72 0.00 0.00 41.12 42.62 1qn1 n ASP 11 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1qn1 n PHE 12 N 2.56 0.56 -2.25 -0.67 3.72 -1.26 -4.78 117.46 115.34 1qn1 n PHE 12 Ca 0.17 0.16 -0.43 0.00 -0.05 0.00 0.00 57.45 57.30 1qn1 n PHE 12 Cb 0.57 -0.67 -0.02 0.00 -0.94 0.00 0.00 39.48 38.41 1qn1 n PHE 12 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qn1 s ILE 13 N -3.12 3.82 -0.79 4.37 1.09 -1.26 -4.86 121.20 120.44 1qn1 s ILE 13 Ca 0.08 0.87 -0.10 0.00 -1.10 0.00 0.00 60.65 60.41 1qn1 s ILE 13 Cb 0.14 -3.99 -0.08 0.00 -1.06 0.00 0.00 42.46 37.47 1qn1 s ILE 13 CO 0.68 -0.55 1.96 0.00 -0.10 0.00 0.00 174.94 176.93 1qn1 n ALA 14 N 8.82 4.01 -3.01 9.38 0.00 -1.26 -4.82 120.51 133.62 1qn1 n ALA 14 Ca 0.18 -2.15 -0.35 0.00 0.00 0.00 0.00 53.44 51.11 1qn1 n ALA 14 Cb 0.47 -3.12 -0.12 0.00 0.00 0.00 0.00 19.45 16.68 1qn1 n ALA 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qn1 s GLY 15 N 3.98 1.77 0.00 0.00 0.00 -1.26 -5.10 107.32 106.70 1qn1 s GLY 15 Ca 0.41 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1qn1 s GLY 15 CO 0.01 0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.96 1qn1 n GLY 16 N 4.19 -2.78 3.10 0.20 0.00 -1.26 -4.66 105.19 103.99 1qn1 n GLY 16 Ca -0.17 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1qn1 n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qn1 n GLU 17 N -0.62 -0.88 -1.21 1.61 2.13 -1.26 -3.03 120.64 117.38 1qn1 n GLU 17 Ca 0.00 -0.25 -0.07 0.00 0.66 0.00 0.00 57.16 57.50 1qn1 n GLU 17 Cb 0.00 -1.33 -0.03 0.00 0.27 0.00 0.00 31.44 30.35 1qn1 n GLU 17 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1qn1 n LYS 18 N 0.20 -0.93 -0.97 5.31 4.81 -1.26 -4.99 118.16 120.33 1qn1 n LYS 18 Ca -0.00 0.66 -0.10 0.00 -0.87 0.00 0.00 58.31 58.00 1qn1 n LYS 18 Cb 0.63 -4.59 0.06 0.00 0.02 0.00 0.00 35.03 31.15 1qn1 n LYS 18 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1qn1 n ASN 19 N -0.15 0.23 -3.91 3.14 6.94 -1.17 -5.12 115.26 115.23 1qn1 n ASN 19 Ca -0.07 -1.28 -0.10 0.00 -0.02 0.00 0.00 54.58 53.10 1qn1 n ASN 19 Cb 0.34 -0.32 -0.11 0.00 -2.36 0.00 0.00 39.78 37.33 1qn1 n ASN 19 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qn1 s LEU 20 N 0.00 1.89 -0.05 -4.53 1.43 -1.26 -5.16 118.68 111.00 1qn1 s LEU 20 Ca 0.27 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1qn1 s LEU 20 Cb -0.01 0.33 -0.00 0.00 0.03 0.00 0.00 46.19 46.54 1qn1 s LEU 20 CO 0.18 -0.26 -0.18 -0.89 0.23 0.00 0.00 176.35 175.43 1qn1 s THR 21 N -1.09 1.51 -0.19 5.49 2.01 -1.26 -4.81 115.64 117.31 1qn1 s THR 21 Ca -0.12 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 1qn1 s THR 21 Cb -0.07 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1qn1 s THR 21 CO 0.00 0.43 0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 1qn1 s VAL 22 N 0.09 4.34 -0.07 3.82 1.01 -1.01 -4.79 120.40 123.79 1qn1 s VAL 22 Ca -0.06 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 1qn1 s VAL 22 Cb -0.13 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1qn1 s VAL 22 CO 0.03 0.44 0.56 -0.69 0.00 0.00 0.00 175.10 175.44 1qn1 s VAL 23 N 0.68 5.06 0.10 2.92 1.01 -1.26 0.18 120.40 129.09 1qn1 s VAL 23 Ca 0.01 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.23 1qn1 s VAL 23 Cb -0.14 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1qn1 s VAL 23 CO 0.02 0.35 -0.22 0.12 0.00 0.00 0.00 175.10 175.37 1qn1 s PHE 24 N 0.32 2.45 -0.06 5.22 2.19 0.30 -4.94 117.98 123.46 1qn1 s PHE 24 Ca 0.30 -0.31 -0.03 0.00 0.33 0.00 0.00 56.93 57.22 1qn1 s PHE 24 Cb -0.17 -1.34 0.04 0.00 -1.31 0.00 0.00 43.02 40.24 1qn1 s PHE 24 CO 0.14 0.32 0.10 -0.80 1.83 0.00 0.00 175.22 176.81 1qn1 s ASN 25 N -1.90 1.04 0.00 6.13 -0.87 -1.26 -2.83 114.94 115.25 1qn1 s ASN 25 Ca 0.15 0.15 0.14 0.00 -1.57 0.00 0.00 52.86 51.73 1qn1 s ASN 25 Cb -0.10 0.01 0.66 0.00 -0.02 0.00 0.00 41.25 41.80 1qn1 s ASN 25 CO 0.07 -0.25 1.42 1.41 -2.57 0.00 0.00 177.10 177.18 1qn1 n HIS 26 N 5.31 0.00 -1.05 2.20 8.25 -1.26 -2.43 115.22 126.24 1qn1 n HIS 26 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 1qn1 n HIS 26 Cb 0.50 -0.40 0.13 0.00 1.12 0.00 0.00 29.99 31.34 1qn1 n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1qn1 n SER 27 N -1.40 4.89 -1.34 0.41 3.41 -1.26 -3.98 113.62 114.36 1qn1 n SER 27 Ca 0.05 -3.48 -0.04 0.00 -0.26 0.00 0.00 58.87 55.13 1qn1 n SER 27 Cb 0.14 -0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 1qn1 n SER 27 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qn1 n THR 28 N -0.84 0.04 -2.08 6.66 -2.24 -1.02 -4.90 114.28 109.90 1qn1 n THR 28 Ca 0.54 -0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 61.90 1qn1 n THR 28 Cb 1.25 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 70.13 1qn1 n THR 28 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1qn1 n HIS 29 N -0.11 -0.42 0.07 4.78 8.25 -1.26 -4.96 115.22 121.57 1qn1 n HIS 29 Ca -0.20 -0.62 -0.16 0.00 -0.26 0.00 0.00 57.72 56.49 1qn1 n HIS 29 Cb 0.80 0.67 -0.14 0.00 1.12 0.00 0.00 29.99 32.45 1qn1 n HIS 29 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1qn1 h LYS 30 N 0.20 0.23 -0.02 -0.41 1.57 -1.91 -3.17 116.57 113.06 1qn1 h LYS 30 Ca -0.39 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 57.99 1qn1 h LYS 30 Cb 1.18 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1qn1 h LYS 30 CO -0.19 1.11 0.00 -0.40 -0.57 0.00 0.00 179.45 179.40 1qn1 n ASP 31 N -3.45 0.23 0.00 0.86 5.75 -1.26 -3.95 116.55 114.73 1qn1 n ASP 31 Ca -0.13 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1qn1 n ASP 31 Cb 1.03 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 1qn1 n ASP 31 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1qn1 n VAL 32 N -0.64 0.00 0.00 2.12 0.31 -1.20 -5.07 118.33 113.86 1qn1 n VAL 32 Ca 0.14 0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.92 1qn1 n VAL 32 Cb 0.10 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1qn1 n VAL 32 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1qn1 n LYS 33 N -1.95 0.00 0.15 5.55 5.02 -1.25 -4.91 118.16 120.77 1qn1 n LYS 33 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1qn1 n LYS 33 Cb 0.00 0.00 0.54 0.00 -0.02 0.00 0.00 35.03 35.55 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn1 n ASP 35 N -2.22 3.36 -0.03 0.00 5.68 -1.26 -4.20 116.55 117.88 1qn1 n ASP 35 Ca -0.00 -3.79 -0.02 0.00 -0.50 0.00 0.00 54.79 50.48 1qn1 n ASP 35 Cb 0.09 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 39.57 1qn1 n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qn1 n ASP 36 N -0.89 2.89 -0.07 -1.12 -0.08 0.13 -4.65 116.55 112.77 1qn1 n ASP 36 Ca 0.32 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.52 1qn1 n ASP 36 Cb 0.84 0.88 -0.10 0.00 2.34 0.00 0.00 41.12 45.08 1qn1 n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qn1 s HIS 38 N -2.33 3.29 -0.26 0.00 3.76 -1.26 -4.89 115.29 113.60 1qn1 s HIS 38 Ca -0.10 -1.34 0.11 0.00 -0.15 0.00 0.00 55.06 53.58 1qn1 s HIS 38 Cb 0.04 -3.50 0.51 0.00 1.11 0.00 0.00 32.58 30.74 1qn1 s HIS 38 CO 0.52 -0.94 1.45 -2.39 -0.85 0.00 0.00 174.74 172.53 1qn1 n HIS 39 N 5.14 1.04 -3.27 1.40 1.44 -1.26 -4.52 115.22 115.18 1qn1 n HIS 39 Ca -0.12 -1.44 -0.38 0.00 -2.01 0.00 0.00 57.72 53.77 1qn1 n HIS 39 Cb 0.41 -0.45 -0.06 0.00 0.12 0.00 0.00 29.99 30.01 1qn1 n HIS 39 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1qn1 s GLN 40 N -3.15 4.20 0.42 -1.40 1.11 -1.26 -5.07 119.66 114.50 1qn1 s GLN 40 Ca 0.44 0.74 -0.09 0.00 0.01 0.00 0.00 55.36 56.45 1qn1 s GLN 40 Cb 0.39 -3.20 -0.06 0.00 -1.01 0.00 0.00 33.01 29.13 1qn1 s GLN 40 CO 0.02 0.62 0.77 -1.25 0.01 0.00 0.00 175.29 175.46 1qn1 s PRO 41 N -1.21 3.71 1.43 2.91 0.04 -1.26 -4.25 135.00 136.37 1qn1 s PRO 41 Ca 0.30 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1qn1 s PRO 41 Cb -0.19 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1qn1 s PRO 41 CO 0.19 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1qn1 n GLY 42 N -1.54 -1.83 0.83 0.56 0.00 -1.26 -3.87 105.19 98.07 1qn1 n GLY 42 Ca 0.02 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.70 1qn1 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qn1 n ASP 43 N 0.54 2.34 -1.60 1.61 8.00 -1.26 -3.60 116.55 122.58 1qn1 n ASP 43 Ca 0.00 -2.18 0.01 0.00 0.71 0.00 0.00 54.79 53.33 1qn1 n ASP 43 Cb 0.00 -0.37 0.31 0.00 -0.02 0.00 0.00 41.12 41.03 1qn1 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qn1 n LYS 44 N 0.39 3.59 0.27 -1.24 4.76 -1.25 -4.54 118.16 120.14 1qn1 n LYS 44 Ca 0.12 -3.05 0.16 0.00 -2.87 0.00 0.00 58.31 52.67 1qn1 n LYS 44 Cb 0.45 -2.09 0.79 0.00 -1.84 0.00 0.00 35.03 32.33 1qn1 n LYS 44 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1qn1 h GLN 45 N 2.56 0.00 -0.58 1.97 4.15 -1.74 1.46 115.11 122.94 1qn1 h GLN 45 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1qn1 h GLN 45 Cb 1.96 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.65 1qn1 h GLN 45 CO 0.52 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 178.08 1qn1 n TYR 46 N -3.10 1.95 -2.40 3.99 4.01 -1.26 -4.47 117.16 115.88 1qn1 n TYR 46 Ca 0.00 -0.72 -0.37 0.00 -0.16 0.00 0.00 57.90 56.66 1qn1 n TYR 46 Cb 0.45 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 1qn1 n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qn1 s ALA 47 N -2.62 3.03 0.62 -0.72 0.00 0.50 -4.96 121.76 117.61 1qn1 s ALA 47 Ca 0.54 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 53.14 1qn1 s ALA 47 Cb 0.40 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 1qn1 s ALA 47 CO 0.17 -0.43 0.21 0.41 0.00 0.00 0.00 175.76 176.12 1qn1 n GLY 48 N 0.39 -2.31 0.13 0.00 0.00 -1.26 -4.91 105.19 97.23 1qn1 n GLY 48 Ca 0.06 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1qn1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n THR 50 N -3.51 2.62 -3.32 0.00 -2.24 -1.23 -0.81 114.28 105.79 1qn1 n THR 50 Ca -0.25 -1.41 -0.27 0.00 -2.27 0.00 0.00 64.05 59.84 1qn1 n THR 50 Cb 1.06 -1.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1qn1 n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qn1 s THR 51 N -1.04 5.04 0.02 4.28 2.01 -1.25 -4.42 115.64 120.28 1qn1 s THR 51 Ca 0.29 -0.07 -0.35 0.00 0.31 0.00 0.00 61.69 61.87 1qn1 s THR 51 Cb 0.19 -3.77 -0.18 0.00 0.01 0.00 0.00 72.50 68.75 1qn1 s THR 51 CO -0.03 -0.40 0.92 -0.67 -0.69 0.00 0.00 174.62 173.75 1qn1 n ASP 52 N -1.20 -0.11 -3.41 3.53 -0.08 -1.26 -0.54 116.55 113.48 1qn1 n ASP 52 Ca -0.02 1.04 -0.17 0.00 -1.51 0.00 0.00 54.79 54.13 1qn1 n ASP 52 Cb 0.54 -0.83 0.09 0.00 2.34 0.00 0.00 41.12 43.26 1qn1 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qn1 n GLY 53 N 1.39 -0.36 0.00 0.27 0.00 -1.26 -4.95 105.19 100.28 1qn1 n GLY 53 Ca 0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1qn1 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n HIS 55 N 0.00 2.66 -0.08 0.00 8.25 0.01 -4.29 115.22 121.77 1qn1 n HIS 55 Ca 0.00 -2.60 -0.21 0.00 -0.26 0.00 0.00 57.72 54.64 1qn1 n HIS 55 Cb 0.00 -1.19 -0.12 0.00 1.12 0.00 0.00 29.99 29.79 1qn1 n HIS 55 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qn1 n ASN 56 N 0.28 2.01 -4.56 0.41 2.85 -1.11 -3.51 115.26 111.64 1qn1 n ASN 56 Ca 0.41 0.13 -0.62 0.00 -0.11 0.00 0.00 54.58 54.39 1qn1 n ASN 56 Cb 0.28 -0.70 -0.10 0.00 1.24 0.00 0.00 39.78 40.50 1qn1 n ASN 56 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1qn1 n ILE 57 N -3.64 0.07 -1.66 -1.44 5.41 -0.95 -4.70 119.36 112.44 1qn1 n ILE 57 Ca -0.41 -0.03 -0.33 0.00 1.00 0.00 0.00 62.75 62.99 1qn1 n ILE 57 Cb 0.96 -0.71 0.05 0.00 -0.71 0.00 0.00 39.64 39.23 1qn1 n ILE 57 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1qn1 n LEU 58 N 5.85 6.83 -4.36 1.39 4.77 -1.26 -2.07 117.00 128.15 1qn1 n LEU 58 Ca 0.39 -4.55 -0.26 0.00 -0.03 0.00 0.00 56.01 51.56 1qn1 n LEU 58 Cb 0.00 -0.81 -0.12 0.00 -2.33 0.00 0.00 43.42 40.16 1qn1 n LEU 58 CO 0.87 1.72 -0.53 -1.81 -1.33 0.00 0.00 177.39 176.30 1qn1 s ASP 59 N -2.24 3.01 -0.23 -1.43 1.11 -1.26 -5.04 116.67 110.58 1qn1 s ASP 59 Ca 0.58 -0.77 -0.04 0.00 0.18 0.00 0.00 52.55 52.50 1qn1 s ASP 59 Cb 0.47 -0.19 -0.18 0.00 1.07 0.00 0.00 42.92 44.08 1qn1 s ASP 59 CO -0.08 0.10 -0.10 1.17 1.18 0.00 0.00 175.17 177.44 1qn1 n LYS 60 N 0.75 0.66 0.24 8.23 0.00 -1.26 -4.11 118.16 122.67 1qn1 n LYS 60 Ca -0.17 0.22 0.16 0.00 0.00 0.00 0.00 58.31 58.52 1qn1 n LYS 60 Cb 0.54 -1.57 0.85 0.00 0.00 0.00 0.00 35.03 34.85 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qn1 h ALA 61 N -0.21 1.03 -2.19 3.14 0.00 -1.99 -3.41 119.26 115.63 1qn1 h ALA 61 Ca -0.56 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.88 1qn1 h ALA 61 Cb 1.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1qn1 h ALA 61 CO -0.13 -0.03 0.24 -0.51 0.00 0.00 0.00 179.25 178.82 1qn1 s ASP 62 N -4.47 6.80 0.00 0.00 1.01 -1.26 -5.08 116.67 113.67 1qn1 s ASP 62 Ca -0.03 1.47 0.00 0.00 0.71 0.00 0.00 52.55 54.70 1qn1 s ASP 62 Cb 0.09 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1qn1 s ASP 62 CO 0.28 -0.34 0.00 0.29 0.21 0.00 0.00 175.17 175.62 1qn1 n LYS 63 N -0.72 3.82 -0.94 8.23 4.76 -1.26 -4.97 118.16 127.08 1qn1 n LYS 63 Ca 0.05 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.61 1qn1 n LYS 63 Cb 0.54 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.67 1qn1 n LYS 63 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1qn1 n SER 64 N 0.00 -5.36 -1.90 4.39 7.64 -1.26 -4.31 113.62 112.82 1qn1 n SER 64 Ca 0.00 0.81 -0.19 0.00 1.01 0.00 0.00 58.87 60.50 1qn1 n SER 64 Cb 0.00 -3.12 0.07 0.00 -1.01 0.00 0.00 64.21 60.15 1qn1 n SER 64 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1qn1 n VAL 65 N -3.60 2.73 -0.12 0.44 0.31 -1.26 -3.76 118.33 113.07 1qn1 n VAL 65 Ca -0.04 -1.65 0.02 0.00 -0.01 0.00 0.00 64.34 62.66 1qn1 n VAL 65 Cb 0.44 -1.04 0.05 0.00 -0.91 0.00 0.00 33.84 32.38 1qn1 n VAL 65 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qn1 n ASN 66 N -0.19 2.26 -4.45 4.52 3.02 -1.26 -4.68 115.26 114.48 1qn1 n ASN 66 Ca 0.38 -2.09 -0.43 0.00 -0.03 0.00 0.00 54.58 52.41 1qn1 n ASN 66 Cb 0.85 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.83 1qn1 n ASN 66 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qn1 s SER 67 N -1.13 6.07 0.46 6.41 0.01 -1.25 -2.25 113.70 122.03 1qn1 s SER 67 Ca 0.08 -0.94 0.28 0.00 1.31 0.00 0.00 55.95 56.68 1qn1 s SER 67 Cb 0.05 -2.15 1.34 0.00 0.21 0.00 0.00 66.02 65.47 1qn1 s SER 67 CO 0.04 -0.46 1.75 -0.25 0.41 0.00 0.00 173.24 174.73 1qn1 h TRP 68 N 8.62 0.38 -1.23 2.43 -0.00 -1.53 0.41 115.95 125.03 1qn1 h TRP 68 Ca -0.27 0.01 -0.55 0.00 -0.00 0.00 0.00 58.89 58.09 1qn1 h TRP 68 Cb 1.12 -0.11 -0.19 0.00 -0.00 0.00 0.00 29.16 29.98 1qn1 h TRP 68 CO 0.56 -0.01 0.52 0.98 -0.00 0.00 0.00 178.44 180.49 1qn1 n TYR 69 N -4.45 1.85 0.14 2.65 9.36 -1.26 -3.95 117.16 121.50 1qn1 n TYR 69 Ca 0.28 -2.01 0.00 0.00 3.32 0.00 0.00 57.90 59.49 1qn1 n TYR 69 Cb 1.14 -1.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 1qn1 n TYR 69 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1qn1 n LYS 70 N 0.61 0.00 0.00 2.98 3.00 0.14 -4.68 118.16 120.21 1qn1 n LYS 70 Ca 0.50 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.90 1qn1 n LYS 70 Cb 0.49 -0.01 0.49 0.00 0.00 0.00 0.00 35.03 36.00 1qn1 n LYS 70 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1qn1 n VAL 71 N -3.42 0.32 -0.07 3.15 0.24 -1.23 0.20 118.33 117.52 1qn1 n VAL 71 Ca 0.00 0.08 -0.21 0.00 -2.04 0.00 0.00 64.34 62.17 1qn1 n VAL 71 Cb 0.00 -0.78 -0.13 0.00 -1.47 0.00 0.00 33.84 31.46 1qn1 n VAL 71 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qn1 n VAL 72 N -1.20 1.63 -0.67 3.34 0.31 -1.25 -4.09 118.33 116.39 1qn1 n VAL 72 Ca 0.10 -0.54 0.08 0.00 -0.01 0.00 0.00 64.34 63.97 1qn1 n VAL 72 Cb 0.12 -1.65 0.25 0.00 -0.91 0.00 0.00 33.84 31.64 1qn1 n VAL 72 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1qn1 n HIS 73 N -3.55 0.92 -2.23 3.52 8.25 -1.00 -3.69 115.22 117.45 1qn1 n HIS 73 Ca -0.39 -0.71 -0.41 0.00 -0.26 0.00 0.00 57.72 55.95 1qn1 n HIS 73 Cb 0.98 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.85 1qn1 n HIS 73 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1qn1 n ASP 74 N 0.11 4.30 -0.70 0.41 8.00 0.54 -4.74 116.55 124.46 1qn1 n ASP 74 Ca 0.19 -2.86 0.53 0.00 0.71 0.00 0.00 54.79 53.36 1qn1 n ASP 74 Cb 0.76 -1.69 0.81 0.00 -0.02 0.00 0.00 41.12 40.98 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qn1 n ALA 75 N 8.59 1.87 -3.94 2.24 0.00 -1.26 -3.04 120.51 124.97 1qn1 n ALA 75 Ca 0.49 0.66 -0.31 0.00 0.00 0.00 0.00 53.44 54.29 1qn1 n ALA 75 Cb 0.44 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.60 1qn1 n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qn1 s LYS 76 N -4.86 1.53 0.00 0.00 2.47 -1.26 -4.23 119.74 113.39 1qn1 s LYS 76 Ca -0.05 -1.22 0.00 0.00 -1.56 0.00 0.00 55.97 53.14 1qn1 s LYS 76 Cb 0.27 -2.66 0.00 0.00 -1.46 0.00 0.00 37.83 33.98 1qn1 s LYS 76 CO 0.89 -0.72 0.00 0.41 0.16 0.00 0.00 175.35 176.09 1qn1 n GLY 77 N 4.58 0.78 0.00 5.54 0.00 -1.17 -5.06 105.19 109.87 1qn1 n GLY 77 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1qn1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn1 n GLY 78 N 5.00 -1.73 0.33 -0.02 0.00 -1.26 -4.94 105.19 102.57 1qn1 n GLY 78 Ca 0.00 0.73 0.08 0.00 0.00 0.00 0.00 46.02 46.83 1qn1 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 h ALA 79 N 0.00 1.85 -2.71 4.61 0.00 -2.04 -3.42 119.26 117.55 1qn1 h ALA 79 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1qn1 h ALA 79 Cb 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 17.79 17.44 1qn1 h ALA 79 CO 0.00 0.07 -0.34 0.21 0.00 0.00 0.00 179.25 179.19 1qn1 s LYS 80 N -5.46 0.54 1.06 0.00 2.20 -1.26 -5.16 119.74 111.65 1qn1 s LYS 80 Ca -0.08 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.37 1qn1 s LYS 80 Cb 0.19 0.24 0.23 0.00 -1.51 0.00 0.00 37.83 36.97 1qn1 s LYS 80 CO 0.74 -0.13 1.07 -1.25 -0.36 0.00 0.00 175.35 175.43 1qn1 s PRO 81 N -0.88 -0.10 0.00 4.03 0.04 -1.26 -4.64 135.00 132.19 1qn1 s PRO 81 Ca -0.10 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1qn1 s PRO 81 Cb -0.05 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1qn1 s PRO 81 CO 0.03 -3.24 0.00 0.25 0.04 0.00 0.00 177.00 174.08 1qn1 n THR 82 N -4.61 0.00 0.00 1.26 -2.24 -1.26 -4.95 114.28 102.49 1qn1 n THR 82 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1qn1 n THR 82 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1qn1 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qn1 h ILE 84 N 0.00 0.00 0.00 0.00 2.04 -1.87 -3.12 117.51 114.56 1qn1 h ILE 84 Ca 0.00 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1qn1 h ILE 84 Cb 0.00 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1qn1 h ILE 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.61 1qn1 n SER 85 N -2.91 0.00 -0.35 1.72 3.41 -1.26 -0.07 113.62 114.16 1qn1 n SER 85 Ca 0.04 0.34 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1qn1 n SER 85 Cb 0.51 -0.11 0.26 0.00 -0.26 0.00 0.00 64.21 64.61 1qn1 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qn1 h HIS 87 N 0.01 -1.30 -0.82 0.00 -0.00 -1.64 1.51 115.15 112.91 1qn1 h HIS 87 Ca 0.58 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 61.11 1qn1 h HIS 87 Cb 1.13 0.48 -0.10 0.00 -0.00 0.00 0.00 27.41 28.92 1qn1 h HIS 87 CO -0.55 -0.67 0.36 -0.22 -0.00 0.00 0.00 177.93 176.84 1qn1 h LYS 88 N -1.06 0.46 0.00 2.45 3.64 0.32 1.03 116.57 123.41 1qn1 h LYS 88 Ca -0.08 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1qn1 h LYS 88 Cb 0.88 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1qn1 h LYS 88 CO 0.02 0.31 -0.28 0.22 -2.27 0.00 0.00 179.45 177.45 1qn1 h ASP 89 N 0.48 0.00 -2.07 4.20 3.58 0.63 1.45 116.42 124.70 1qn1 h ASP 89 Ca 0.46 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 57.20 1qn1 h ASP 89 Cb 0.74 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.47 1qn1 h ASP 89 CO -0.43 0.28 0.38 0.29 -2.88 0.00 0.00 179.24 176.89 1qn1 n LYS 90 N -3.48 3.91 0.00 0.28 5.02 0.51 -4.48 118.16 119.92 1qn1 n LYS 90 Ca -0.00 -4.38 0.00 0.00 -2.02 0.00 0.00 58.31 51.91 1qn1 n LYS 90 Cb 0.45 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1qn1 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn1 n ALA 91 N -0.30 0.00 -1.21 7.82 0.00 -0.76 -4.79 120.51 121.27 1qn1 n ALA 91 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 1qn1 n ALA 91 Cb 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.64 1qn1 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 92 N 0.00 -0.40 0.70 0.00 0.00 0.50 -3.61 105.19 102.37 1qn1 n GLY 92 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1qn1 n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qn1 n ASP 93 N 6.26 0.00 -3.89 1.61 5.75 -1.26 -4.97 116.55 120.05 1qn1 n ASP 93 Ca 0.54 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 55.21 1qn1 n ASP 93 Cb 0.07 0.17 -0.12 0.00 -1.03 0.00 0.00 41.12 40.22 1qn1 n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1qn1 s ASP 94 N -1.64 0.03 0.52 -1.12 1.11 -1.24 -5.02 116.67 109.31 1qn1 s ASP 94 Ca 0.00 -0.11 0.24 0.00 0.18 0.00 0.00 52.55 52.86 1qn1 s ASP 94 Cb 0.00 0.15 1.35 0.00 1.07 0.00 0.00 42.92 45.49 1qn1 s ASP 94 CO 0.00 -0.18 1.98 0.07 1.18 0.00 0.00 175.17 178.22 1qn1 h LYS 95 N 5.23 0.06 -0.54 8.23 2.10 -1.95 0.43 116.57 130.13 1qn1 h LYS 95 Ca -0.28 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.38 1qn1 h LYS 95 Cb 1.20 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.49 1qn1 h LYS 95 CO 0.43 0.04 0.34 0.93 -2.00 0.00 0.00 179.45 179.20 1qn1 h GLU 96 N 0.06 0.67 -0.01 0.07 4.39 -1.97 0.97 114.58 118.76 1qn1 h GLU 96 Ca 0.27 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1qn1 h GLU 96 Cb 1.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1qn1 h GLU 96 CO -0.02 0.44 -0.23 -0.11 -1.16 0.00 0.00 179.01 177.93 1qn1 n LEU 97 N -4.74 1.00 -0.04 1.33 0.00 0.27 -3.60 117.00 111.22 1qn1 n LEU 97 Ca 0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 56.01 55.71 1qn1 n LEU 97 Cb 0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 43.42 43.20 1qn1 n LEU 97 CO 0.34 0.19 -0.68 1.17 0.00 0.00 0.00 177.39 178.41 1qn1 n LYS 98 N -0.63 0.65 0.05 1.96 3.00 0.13 -4.23 118.16 119.09 1qn1 n LYS 98 Ca 0.13 0.21 -0.13 0.00 -0.00 0.00 0.00 58.31 58.52 1qn1 n LYS 98 Cb 0.34 -1.72 -0.08 0.00 0.00 0.00 0.00 35.03 33.57 1qn1 n LYS 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1qn1 h LYS 99 N 0.00 -0.08 -4.56 1.64 1.57 0.85 0.12 116.57 116.11 1qn1 h LYS 99 Ca -0.34 0.01 -0.73 0.00 -1.87 0.00 0.00 60.65 57.71 1qn1 h LYS 99 Cb 2.03 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 34.16 1qn1 h LYS 99 CO 0.06 0.09 0.74 0.21 -0.57 0.00 0.00 179.45 179.99 1qn1 s LYS 100 N -5.54 3.76 0.00 3.15 2.20 -1.10 -2.41 119.74 119.80 1qn1 s LYS 100 Ca -0.14 -2.23 0.00 0.00 -0.36 0.00 0.00 55.97 53.24 1qn1 s LYS 100 Cb 0.04 -4.81 0.00 0.00 -1.51 0.00 0.00 37.83 31.56 1qn1 s LYS 100 CO 0.65 -1.61 0.00 1.28 -0.36 0.00 0.00 175.35 175.31 1qn1 n LEU 101 N 5.42 0.00 0.02 5.43 4.32 -1.25 -4.86 117.00 126.07 1qn1 n LEU 101 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1qn1 n LEU 101 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1qn1 n LEU 101 CO 0.49 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 177.01 1qn1 n THR 102 N 0.00 0.00 -0.88 -5.08 -2.24 -1.04 -4.78 114.28 100.26 1qn1 n THR 102 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1qn1 n THR 102 Cb 0.00 -0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 1qn1 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qn1 n GLY 103 N 0.66 -0.29 0.00 3.38 0.00 0.40 -4.72 105.19 104.62 1qn1 n GLY 103 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1qn1 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 s LYS 105 N -2.34 3.30 0.00 0.00 2.20 -1.26 -2.80 119.74 118.84 1qn1 s LYS 105 Ca 0.00 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1qn1 s LYS 105 Cb 0.00 -5.01 0.00 0.00 -1.51 0.00 0.00 37.83 31.31 1qn1 s LYS 105 CO 0.00 -2.39 0.00 0.41 -0.36 0.00 0.00 175.35 173.01 1qn1 n GLY 106 N 6.50 1.71 3.19 5.54 0.00 -1.06 -4.97 105.19 116.10 1qn1 n GLY 106 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 1qn1 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qn1 s SER 107 N -2.00 1.92 0.56 1.61 1.04 -0.04 -2.72 113.70 114.06 1qn1 s SER 107 Ca 0.00 -0.57 0.49 0.00 0.48 0.00 0.00 55.95 56.36 1qn1 s SER 107 Cb 0.00 -0.10 1.68 0.00 0.10 0.00 0.00 66.02 67.70 1qn1 s SER 107 CO 0.00 0.01 1.54 0.00 0.98 0.00 0.00 173.24 175.77 1qn1 n ALA 108 N 1.51 1.85 -2.75 5.32 0.00 -1.26 -3.76 120.51 121.41 1qn1 n ALA 108 Ca -0.19 0.64 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 1qn1 n ALA 108 Cb 0.54 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1qn1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qn1 n HIS 110 N 2.69 -2.63 -2.81 0.00 -0.00 -1.25 -4.74 115.22 106.47 1qn1 n HIS 110 Ca -0.18 0.95 -0.39 0.00 -0.00 0.00 0.00 57.72 58.10 1qn1 n HIS 110 Cb 0.53 -4.11 -0.06 0.00 -0.00 0.00 0.00 29.99 26.35 1qn1 n HIS 110 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1qn1 s PRO 111 N -3.88 4.72 0.00 -0.41 0.04 -1.25 -4.19 135.00 130.02 1qn1 s PRO 111 Ca 0.29 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1qn1 s PRO 111 Cb -0.04 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1qn1 s PRO 111 CO 0.74 0.47 0.00 -1.13 0.04 0.00 0.00 177.00 177.12